Geometry & MOs

Info

ID:	163893
PubChem CID:	74380649
Reduced:	BrSF2N2O4H21C23 (1)
Stoich.:	ABC2D2E4F21G23 (1)
Weight, g/mol:	326.282095
ΔH_f, kcal/mol:	-197.41
Dipole, Da:	7.01
IP(EA), eV:	-9.16(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-hexoxytetradec-5-enoic acid

Drug info:

PubChemData

Smile

C1CCOC(C1)OC2CCN(C2)C(=O)C3=C(C4=C(S3)N(C(=O)C=C4)C5=C(C=CC=C5F)F)Br

DOS

IR

Vibrations